Acetic Acid → 2-Methyl-4-methoxy-5-(2-hydroxypropyl)aminophenol

HRID 2124141Notes

Reaction equation

HRID 2124141 reaction equation
[C:28]([O:29][CH2:30][CH3:31])(=[O:32])[CH3:33].[CH3:1][OH:2].[CH3:24][C:25](=[O:26])[OH:27].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:3][S:4](=[O:5])(=[O:6])[O:7][c:8]1[c:9]([CH3:21])[cH:10][c:11]([O:19][CH3:20])[c:12]([NH:14][CH2:15][CH:16]([CH3:17])[OH:18])[cH:13]1.[Na+:23].[OH-:22].[OH2:40]>>[OH:7][c:8]1[c:9]([CH3:21])[cH:10][c:11]([O:19][CH3:20])[c:12]([NH:14][CH2:15][CH:16]([CH3:17])[OH:18])[cH:13]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 198211542-Methyl-4-methoxy-5-(2-hydroxypropyl)aminophenyl mesylate

Product 1

HCID 198211342-Methyl-4-methoxy-5-(2-hydroxypropyl)aminophenol

Sources & evidence

ORD record
ord-c82a0dbfd5cf4097909fa79b4a4c9343
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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